5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2150-0690 |
| Compound Name: | 5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 456.37 |
| Molecular Formula: | C20 H16 N4 O9 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)OC)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8309 |
| logD: | 2.8309 |
| logSw: | -3.5126 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 126.139 |
| InChI Key: | CVQVXVRJZLJKGX-UHFFFAOYSA-N |